UCSF

ZINC42773403

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 18 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.72 11.08 -37.46 1 2 1 8 269.84 7
Hi High (pH 8-9.5) 3.72 8.59 -1.69 0 2 0 6 268.832 7

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )